USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot 180:sc= 0.12 USER MOD Set 1.2: A 63 THR OG1 : rot 104:sc= 0.0337 USER MOD Set 2.1: A 44 THR OG1 : rot 33:sc= -0.275 USER MOD Set 2.2: A 47 SER OG : rot 115:sc= 0.331 USER MOD Single : A 3 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.053) USER MOD Single : A 5 GLN : amide:sc=0.000241 X(o=0.00024,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 79:sc= -0.797 USER MOD Single : A 9 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.166 (180deg=-0.982) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -175:sc= -1.56! USER MOD Single : A 41 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.075) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.94) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 80 GLN : amide:sc= -0.292 K(o=-0.29,f=-3.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00666) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc=-0.00813 F(o=-1.5!,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.447 5.810 -15.478 1.00 0.00 N ATOM 32 CA GLN A 3 -6.024 4.641 -14.746 1.00 0.00 C ATOM 33 C GLN A 3 -6.337 5.032 -13.292 1.00 0.00 C ATOM 34 O GLN A 3 -6.046 4.288 -12.374 1.00 0.00 O ATOM 35 CB GLN A 3 -4.936 3.564 -14.794 1.00 0.00 C ATOM 36 CG GLN A 3 -5.264 2.546 -15.889 1.00 0.00 C ATOM 37 CD GLN A 3 -5.205 3.231 -17.260 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.146 3.352 -17.842 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.304 3.690 -17.809 1.00 0.00 N ATOM 0 HA GLN A 3 -6.957 4.293 -15.190 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.966 4.022 -14.989 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.864 3.063 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.556 1.718 -15.854 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.256 2.125 -15.724 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.196 3.591 -17.324 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.267 4.146 -18.721 1.00 0.00 H new ATOM 48 N GLU A 4 -6.928 6.191 -13.072 1.00 0.00 N ATOM 49 CA GLU A 4 -7.249 6.606 -11.657 1.00 0.00 C ATOM 50 C GLU A 4 -8.187 5.580 -11.006 1.00 0.00 C ATOM 51 O GLU A 4 -8.041 5.262 -9.840 1.00 0.00 O ATOM 52 CB GLU A 4 -7.939 7.977 -11.740 1.00 0.00 C ATOM 53 CG GLU A 4 -7.721 8.738 -10.430 1.00 0.00 C ATOM 54 CD GLU A 4 -8.776 8.311 -9.408 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.913 8.119 -9.806 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.428 8.181 -8.246 1.00 0.00 O ATOM 0 H GLU A 4 -7.198 6.857 -13.796 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.345 6.661 -11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.537 8.549 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.005 7.849 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.722 8.537 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.784 9.812 -10.606 1.00 0.00 H new ATOM 63 N GLN A 5 -9.146 5.047 -11.742 1.00 0.00 N ATOM 64 CA GLN A 5 -10.076 4.027 -11.127 1.00 0.00 C ATOM 65 C GLN A 5 -9.257 2.873 -10.523 1.00 0.00 C ATOM 66 O GLN A 5 -9.576 2.376 -9.458 1.00 0.00 O ATOM 67 CB GLN A 5 -11.012 3.522 -12.248 1.00 0.00 C ATOM 68 CG GLN A 5 -10.209 2.797 -13.334 1.00 0.00 C ATOM 69 CD GLN A 5 -11.164 2.281 -14.418 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.675 3.053 -15.204 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.431 0.999 -14.497 1.00 0.00 N ATOM 0 H GLN A 5 -9.324 5.268 -12.722 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.666 4.464 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.759 2.848 -11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.550 4.362 -12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.476 3.474 -13.772 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.654 1.966 -12.898 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.004 0.348 -13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.066 0.654 -15.217 1.00 0.00 H new ATOM 80 N TYR A 6 -8.178 2.476 -11.167 1.00 0.00 N ATOM 81 CA TYR A 6 -7.322 1.389 -10.579 1.00 0.00 C ATOM 82 C TYR A 6 -6.532 1.981 -9.403 1.00 0.00 C ATOM 83 O TYR A 6 -6.355 1.343 -8.382 1.00 0.00 O ATOM 84 CB TYR A 6 -6.362 0.924 -11.686 1.00 0.00 C ATOM 85 CG TYR A 6 -7.051 -0.087 -12.570 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.866 0.344 -13.623 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.876 -1.457 -12.336 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.505 -0.592 -14.444 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.514 -2.393 -13.156 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.328 -1.962 -14.210 1.00 0.00 C ATOM 91 OH TYR A 6 -8.958 -2.887 -15.020 1.00 0.00 O ATOM 0 H TYR A 6 -7.858 2.851 -12.060 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.916 0.549 -10.219 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.037 1.778 -12.280 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.468 0.484 -11.244 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.002 1.400 -13.802 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.249 -1.790 -11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.134 -0.259 -15.257 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.379 -3.449 -12.976 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.729 -3.792 -14.722 1.00 0.00 H new ATOM 101 N THR A 7 -6.064 3.208 -9.536 1.00 0.00 N ATOM 102 CA THR A 7 -5.294 3.847 -8.411 1.00 0.00 C ATOM 103 C THR A 7 -6.185 3.958 -7.166 1.00 0.00 C ATOM 104 O THR A 7 -5.736 3.718 -6.061 1.00 0.00 O ATOM 105 CB THR A 7 -4.889 5.250 -8.907 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.074 5.121 -10.063 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.115 6.005 -7.822 1.00 0.00 C ATOM 0 H THR A 7 -6.181 3.788 -10.367 1.00 0.00 H new ATOM 0 HA THR A 7 -4.418 3.258 -8.139 1.00 0.00 H new ATOM 0 HB THR A 7 -5.792 5.812 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.639 4.938 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.839 6.992 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.741 6.112 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.214 5.449 -7.564 1.00 0.00 H new ATOM 115 N GLU A 8 -7.441 4.321 -7.331 1.00 0.00 N ATOM 116 CA GLU A 8 -8.338 4.440 -6.126 1.00 0.00 C ATOM 117 C GLU A 8 -8.566 3.056 -5.511 1.00 0.00 C ATOM 118 O GLU A 8 -8.543 2.902 -4.304 1.00 0.00 O ATOM 119 CB GLU A 8 -9.667 5.040 -6.611 1.00 0.00 C ATOM 120 CG GLU A 8 -10.285 5.882 -5.493 1.00 0.00 C ATOM 121 CD GLU A 8 -11.365 6.795 -6.079 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.020 7.652 -6.875 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.517 6.621 -5.721 1.00 0.00 O ATOM 0 H GLU A 8 -7.878 4.536 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.890 5.074 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.499 5.656 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.352 4.244 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.717 5.233 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.515 6.479 -5.005 1.00 0.00 H new ATOM 130 N ASN A 9 -8.762 2.042 -6.326 1.00 0.00 N ATOM 131 CA ASN A 9 -8.961 0.666 -5.755 1.00 0.00 C ATOM 132 C ASN A 9 -7.614 0.132 -5.257 1.00 0.00 C ATOM 133 O ASN A 9 -7.537 -0.477 -4.206 1.00 0.00 O ATOM 134 CB ASN A 9 -9.511 -0.216 -6.888 1.00 0.00 C ATOM 135 CG ASN A 9 -10.937 0.228 -7.236 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.132 1.297 -7.780 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.953 -0.549 -6.947 1.00 0.00 N ATOM 0 H ASN A 9 -8.793 2.104 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.655 0.673 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.870 -0.139 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.509 -1.262 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.902 -0.255 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.794 -1.447 -6.490 1.00 0.00 H new ATOM 144 N LEU A 10 -6.544 0.374 -5.988 1.00 0.00 N ATOM 145 CA LEU A 10 -5.201 -0.109 -5.518 1.00 0.00 C ATOM 146 C LEU A 10 -4.807 0.642 -4.237 1.00 0.00 C ATOM 147 O LEU A 10 -4.231 0.067 -3.334 1.00 0.00 O ATOM 148 CB LEU A 10 -4.195 0.190 -6.641 1.00 0.00 C ATOM 149 CG LEU A 10 -2.829 -0.389 -6.268 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.920 -1.914 -6.210 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.796 0.022 -7.322 1.00 0.00 C ATOM 0 H LEU A 10 -6.542 0.877 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.219 -1.176 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.542 -0.243 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.116 1.266 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.526 -0.007 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.947 -2.327 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.655 -2.206 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.223 -2.298 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.822 -0.390 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.099 -0.360 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.731 1.109 -7.363 1.00 0.00 H new ATOM 163 N LYS A 11 -5.120 1.922 -4.142 1.00 0.00 N ATOM 164 CA LYS A 11 -4.754 2.684 -2.894 1.00 0.00 C ATOM 165 C LYS A 11 -5.399 2.035 -1.659 1.00 0.00 C ATOM 166 O LYS A 11 -4.826 2.057 -0.584 1.00 0.00 O ATOM 167 CB LYS A 11 -5.281 4.117 -3.075 1.00 0.00 C ATOM 168 CG LYS A 11 -4.219 4.966 -3.777 1.00 0.00 C ATOM 169 CD LYS A 11 -4.634 6.438 -3.739 1.00 0.00 C ATOM 170 CE LYS A 11 -5.896 6.636 -4.583 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.044 8.113 -4.712 1.00 0.00 N ATOM 0 H LYS A 11 -5.603 2.462 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.675 2.679 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.200 4.107 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.526 4.551 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.253 4.837 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.100 4.637 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.819 6.748 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.827 7.064 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.796 6.162 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.767 6.192 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.889 8.329 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.144 8.536 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.203 8.507 -5.180 1.00 0.00 H new ATOM 185 N VAL A 12 -6.575 1.451 -1.791 1.00 0.00 N ATOM 186 CA VAL A 12 -7.215 0.802 -0.594 1.00 0.00 C ATOM 187 C VAL A 12 -6.489 -0.512 -0.276 1.00 0.00 C ATOM 188 O VAL A 12 -6.218 -0.809 0.872 1.00 0.00 O ATOM 189 CB VAL A 12 -8.683 0.536 -0.967 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.395 -0.166 0.192 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.382 1.866 -1.259 1.00 0.00 C ATOM 0 H VAL A 12 -7.109 1.396 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.155 1.438 0.289 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.719 -0.101 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.434 -0.352 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.900 -1.114 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.358 0.467 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.423 1.680 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.341 2.501 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.881 2.366 -2.088 1.00 0.00 H new ATOM 201 N ILE A 13 -6.166 -1.294 -1.282 1.00 0.00 N ATOM 202 CA ILE A 13 -5.443 -2.586 -1.012 1.00 0.00 C ATOM 203 C ILE A 13 -4.016 -2.295 -0.517 1.00 0.00 C ATOM 204 O ILE A 13 -3.500 -3.005 0.326 1.00 0.00 O ATOM 205 CB ILE A 13 -5.421 -3.367 -2.338 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.865 -3.624 -2.798 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.704 -4.706 -2.135 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.973 -3.413 -4.310 1.00 0.00 C ATOM 0 H ILE A 13 -6.367 -1.100 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.941 -3.168 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.892 -2.786 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.163 -4.641 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.547 -2.951 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.690 -5.257 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.681 -4.525 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.231 -5.290 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.998 -3.596 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.694 -2.388 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.304 -4.104 -4.823 1.00 0.00 H new ATOM 220 N VAL A 14 -3.378 -1.251 -1.013 1.00 0.00 N ATOM 221 CA VAL A 14 -1.989 -0.935 -0.525 1.00 0.00 C ATOM 222 C VAL A 14 -2.070 -0.418 0.921 1.00 0.00 C ATOM 223 O VAL A 14 -1.251 -0.769 1.750 1.00 0.00 O ATOM 224 CB VAL A 14 -1.418 0.142 -1.466 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.027 0.571 -0.989 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.307 -0.436 -2.880 1.00 0.00 C ATOM 0 H VAL A 14 -3.750 -0.617 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.345 -1.815 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.080 1.008 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.369 1.333 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.098 0.978 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.639 -0.292 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.903 0.321 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.644 -1.301 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.294 -0.740 -3.227 1.00 0.00 H new ATOM 236 N ALA A 15 -3.059 0.399 1.242 1.00 0.00 N ATOM 237 CA ALA A 15 -3.175 0.905 2.657 1.00 0.00 C ATOM 238 C ALA A 15 -3.351 -0.283 3.622 1.00 0.00 C ATOM 239 O ALA A 15 -2.836 -0.268 4.724 1.00 0.00 O ATOM 240 CB ALA A 15 -4.413 1.815 2.707 1.00 0.00 C ATOM 0 H ALA A 15 -3.777 0.731 0.598 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.280 1.452 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.537 2.206 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.284 2.644 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.297 1.242 2.429 1.00 0.00 H new ATOM 246 N GLU A 16 -4.070 -1.318 3.219 1.00 0.00 N ATOM 247 CA GLU A 16 -4.261 -2.505 4.132 1.00 0.00 C ATOM 248 C GLU A 16 -2.898 -3.053 4.590 1.00 0.00 C ATOM 249 O GLU A 16 -2.747 -3.470 5.724 1.00 0.00 O ATOM 250 CB GLU A 16 -5.003 -3.574 3.312 1.00 0.00 C ATOM 251 CG GLU A 16 -5.320 -4.778 4.201 1.00 0.00 C ATOM 252 CD GLU A 16 -5.268 -6.058 3.363 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.752 -6.029 2.244 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.747 -7.043 3.856 1.00 0.00 O ATOM 0 H GLU A 16 -4.527 -1.391 2.310 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.823 -2.224 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.924 -3.158 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.392 -3.886 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.603 -4.837 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.307 -4.663 4.649 1.00 0.00 H new ATOM 261 N LYS A 17 -1.901 -3.052 3.724 1.00 0.00 N ATOM 262 CA LYS A 17 -0.553 -3.576 4.146 1.00 0.00 C ATOM 263 C LYS A 17 0.172 -2.513 4.985 1.00 0.00 C ATOM 264 O LYS A 17 0.780 -2.827 5.991 1.00 0.00 O ATOM 265 CB LYS A 17 0.234 -3.877 2.857 1.00 0.00 C ATOM 266 CG LYS A 17 0.923 -5.239 2.982 1.00 0.00 C ATOM 267 CD LYS A 17 2.300 -5.061 3.626 1.00 0.00 C ATOM 268 CE LYS A 17 2.604 -6.263 4.525 1.00 0.00 C ATOM 269 NZ LYS A 17 2.615 -7.438 3.610 1.00 0.00 N ATOM 0 H LYS A 17 -1.960 -2.718 2.762 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.647 -4.476 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.439 -3.876 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.976 -3.098 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.313 -5.912 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.027 -5.697 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.064 -4.968 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.323 -4.141 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.564 -6.146 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.848 -6.375 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.231 -8.178 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.649 -7.809 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.973 -7.148 2.677 1.00 0.00 H new ATOM 283 N LEU A 18 0.103 -1.256 4.591 1.00 0.00 N ATOM 284 CA LEU A 18 0.789 -0.187 5.401 1.00 0.00 C ATOM 285 C LEU A 18 0.129 -0.101 6.782 1.00 0.00 C ATOM 286 O LEU A 18 0.790 -0.214 7.797 1.00 0.00 O ATOM 287 CB LEU A 18 0.596 1.130 4.642 1.00 0.00 C ATOM 288 CG LEU A 18 1.329 1.055 3.306 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.565 1.870 2.262 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.741 1.620 3.473 1.00 0.00 C ATOM 0 H LEU A 18 -0.389 -0.928 3.760 1.00 0.00 H new ATOM 0 HA LEU A 18 1.848 -0.403 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.465 1.316 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.978 1.963 5.233 1.00 0.00 H new ATOM 0 HG LEU A 18 1.391 0.018 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.087 1.818 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.441 1.465 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.503 2.909 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.269 1.568 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.681 2.658 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.281 1.036 4.219 1.00 0.00 H new ATOM 302 N ALA A 19 -1.177 0.080 6.830 1.00 0.00 N ATOM 303 CA ALA A 19 -1.874 0.151 8.167 1.00 0.00 C ATOM 304 C ALA A 19 -1.599 -1.131 8.977 1.00 0.00 C ATOM 305 O ALA A 19 -1.541 -1.096 10.192 1.00 0.00 O ATOM 306 CB ALA A 19 -3.380 0.273 7.879 1.00 0.00 C ATOM 0 H ALA A 19 -1.783 0.180 6.016 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.514 1.000 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.927 0.328 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.567 1.176 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.714 -0.598 7.315 1.00 0.00 H new ATOM 312 N GLY A 20 -1.434 -2.267 8.319 1.00 0.00 N ATOM 313 CA GLY A 20 -1.170 -3.535 9.062 1.00 0.00 C ATOM 314 C GLY A 20 0.254 -3.531 9.644 1.00 0.00 C ATOM 315 O GLY A 20 0.479 -4.060 10.717 1.00 0.00 O ATOM 0 H GLY A 20 -1.472 -2.361 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.897 -3.651 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.294 -4.387 8.394 1.00 0.00 H new ATOM 319 N ILE A 21 1.222 -2.950 8.956 1.00 0.00 N ATOM 320 CA ILE A 21 2.623 -2.945 9.517 1.00 0.00 C ATOM 321 C ILE A 21 2.636 -2.185 10.860 1.00 0.00 C ATOM 322 O ILE A 21 2.182 -1.060 10.923 1.00 0.00 O ATOM 323 CB ILE A 21 3.517 -2.233 8.480 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.513 -3.031 7.170 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.956 -2.138 9.000 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.637 -2.078 5.975 1.00 0.00 C ATOM 0 H ILE A 21 1.108 -2.490 8.053 1.00 0.00 H new ATOM 0 HA ILE A 21 2.985 -3.956 9.702 1.00 0.00 H new ATOM 0 HB ILE A 21 3.128 -1.229 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.339 -3.742 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.593 -3.610 7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.578 -1.634 8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.970 -1.572 9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.345 -3.140 9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.633 -2.653 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.797 -1.384 5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.569 -1.519 6.051 1.00 0.00 H new ATOM 338 N PRO A 22 3.153 -2.815 11.900 1.00 0.00 N ATOM 339 CA PRO A 22 3.200 -2.152 13.229 1.00 0.00 C ATOM 340 C PRO A 22 4.263 -1.040 13.248 1.00 0.00 C ATOM 341 O PRO A 22 4.063 -0.003 13.851 1.00 0.00 O ATOM 342 CB PRO A 22 3.577 -3.279 14.186 1.00 0.00 C ATOM 343 CG PRO A 22 4.294 -4.281 13.341 1.00 0.00 C ATOM 344 CD PRO A 22 3.732 -4.170 11.949 1.00 0.00 C ATOM 0 HA PRO A 22 2.258 -1.672 13.494 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.214 -2.915 14.993 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.692 -3.715 14.650 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.367 -4.087 13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.153 -5.288 13.734 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.508 -4.299 11.195 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.976 -4.933 11.763 1.00 0.00 H new ATOM 415 N ASP A 27 1.867 9.038 8.583 1.00 0.00 N ATOM 416 CA ASP A 27 2.012 9.026 7.089 1.00 0.00 C ATOM 417 C ASP A 27 1.679 7.635 6.516 1.00 0.00 C ATOM 418 O ASP A 27 2.431 7.092 5.731 1.00 0.00 O ATOM 419 CB ASP A 27 3.477 9.383 6.819 1.00 0.00 C ATOM 420 CG ASP A 27 3.622 10.902 6.719 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.563 11.553 7.750 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.790 11.390 5.613 1.00 0.00 O ATOM 0 HA ASP A 27 1.328 9.729 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.109 8.999 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.812 8.913 5.894 1.00 0.00 H new ATOM 427 N ILE A 28 0.562 7.053 6.901 1.00 0.00 N ATOM 428 CA ILE A 28 0.199 5.698 6.364 1.00 0.00 C ATOM 429 C ILE A 28 -0.846 5.811 5.233 1.00 0.00 C ATOM 430 O ILE A 28 -0.839 5.013 4.312 1.00 0.00 O ATOM 431 CB ILE A 28 -0.320 4.893 7.578 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.418 3.392 7.225 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.682 5.421 8.055 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.536 3.121 6.204 1.00 0.00 C ATOM 0 H ILE A 28 -0.108 7.454 7.558 1.00 0.00 H new ATOM 0 HA ILE A 28 1.052 5.195 5.910 1.00 0.00 H new ATOM 0 HB ILE A 28 0.392 5.017 8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.535 3.050 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.605 2.816 8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.020 4.835 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.585 6.466 8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.408 5.337 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.574 2.055 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.492 3.439 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.335 3.677 5.288 1.00 0.00 H new ATOM 446 N LYS A 29 -1.720 6.794 5.262 1.00 0.00 N ATOM 447 CA LYS A 29 -2.710 6.929 4.140 1.00 0.00 C ATOM 448 C LYS A 29 -2.051 7.716 2.998 1.00 0.00 C ATOM 449 O LYS A 29 -2.248 7.406 1.837 1.00 0.00 O ATOM 450 CB LYS A 29 -3.929 7.685 4.694 1.00 0.00 C ATOM 451 CG LYS A 29 -5.030 6.685 5.050 1.00 0.00 C ATOM 452 CD LYS A 29 -4.638 5.919 6.315 1.00 0.00 C ATOM 453 CE LYS A 29 -5.879 5.262 6.921 1.00 0.00 C ATOM 454 NZ LYS A 29 -5.396 3.967 7.476 1.00 0.00 N ATOM 0 H LYS A 29 -1.791 7.496 5.999 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.023 5.959 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.645 8.258 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.295 8.398 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.973 7.208 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.184 5.990 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.892 5.161 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.184 6.597 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.316 5.887 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.651 5.105 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.192 3.457 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.991 3.391 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.667 4.148 8.196 1.00 0.00 H new ATOM 468 N TYR A 30 -1.245 8.715 3.314 1.00 0.00 N ATOM 469 CA TYR A 30 -0.558 9.485 2.222 1.00 0.00 C ATOM 470 C TYR A 30 0.559 8.631 1.595 1.00 0.00 C ATOM 471 O TYR A 30 0.854 8.775 0.422 1.00 0.00 O ATOM 472 CB TYR A 30 0.032 10.748 2.870 1.00 0.00 C ATOM 473 CG TYR A 30 -1.082 11.718 3.184 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.700 12.432 2.150 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.495 11.904 4.508 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.733 13.332 2.442 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.527 12.803 4.800 1.00 0.00 C ATOM 478 CZ TYR A 30 -3.146 13.518 3.766 1.00 0.00 C ATOM 479 OH TYR A 30 -4.164 14.405 4.053 1.00 0.00 O ATOM 0 H TYR A 30 -1.038 9.023 4.264 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.257 9.748 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.568 10.486 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.754 11.212 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.381 12.289 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.017 11.354 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.211 13.882 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.846 12.946 5.822 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.328 14.414 5.019 1.00 0.00 H new ATOM 489 N VAL A 31 1.183 7.739 2.349 1.00 0.00 N ATOM 490 CA VAL A 31 2.269 6.895 1.738 1.00 0.00 C ATOM 491 C VAL A 31 1.661 5.903 0.726 1.00 0.00 C ATOM 492 O VAL A 31 2.259 5.619 -0.295 1.00 0.00 O ATOM 493 CB VAL A 31 2.994 6.164 2.899 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.108 5.067 3.500 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.299 5.542 2.378 1.00 0.00 C ATOM 0 H VAL A 31 0.991 7.564 3.335 1.00 0.00 H new ATOM 0 HA VAL A 31 2.985 7.506 1.188 1.00 0.00 H new ATOM 0 HB VAL A 31 3.214 6.893 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.642 4.572 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.191 5.511 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.860 4.337 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.808 5.029 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.071 4.829 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.944 6.327 1.984 1.00 0.00 H new ATOM 505 N ALA A 32 0.476 5.382 0.991 1.00 0.00 N ATOM 506 CA ALA A 32 -0.145 4.420 0.009 1.00 0.00 C ATOM 507 C ALA A 32 -0.390 5.130 -1.331 1.00 0.00 C ATOM 508 O ALA A 32 -0.194 4.550 -2.382 1.00 0.00 O ATOM 509 CB ALA A 32 -1.479 3.958 0.617 1.00 0.00 C ATOM 0 H ALA A 32 -0.077 5.576 1.826 1.00 0.00 H new ATOM 0 HA ALA A 32 0.510 3.569 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.965 3.258 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.293 3.467 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.126 4.821 0.773 1.00 0.00 H new ATOM 515 N GLU A 33 -0.808 6.382 -1.309 1.00 0.00 N ATOM 516 CA GLU A 33 -1.049 7.111 -2.609 1.00 0.00 C ATOM 517 C GLU A 33 0.252 7.153 -3.420 1.00 0.00 C ATOM 518 O GLU A 33 0.266 6.832 -4.594 1.00 0.00 O ATOM 519 CB GLU A 33 -1.498 8.536 -2.248 1.00 0.00 C ATOM 520 CG GLU A 33 -2.902 8.492 -1.643 1.00 0.00 C ATOM 521 CD GLU A 33 -3.212 9.832 -0.974 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.299 10.421 -0.419 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.359 10.247 -1.027 1.00 0.00 O ATOM 0 H GLU A 33 -0.990 6.923 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.808 6.611 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.799 8.980 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.494 9.166 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.638 8.282 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.970 7.685 -0.913 1.00 0.00 H new ATOM 530 N TYR A 34 1.352 7.522 -2.798 1.00 0.00 N ATOM 531 CA TYR A 34 2.658 7.550 -3.549 1.00 0.00 C ATOM 532 C TYR A 34 2.992 6.130 -4.029 1.00 0.00 C ATOM 533 O TYR A 34 3.461 5.940 -5.135 1.00 0.00 O ATOM 534 CB TYR A 34 3.728 8.061 -2.563 1.00 0.00 C ATOM 535 CG TYR A 34 5.109 8.081 -3.204 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.271 8.326 -4.581 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.236 7.869 -2.400 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.555 8.353 -5.140 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.517 7.901 -2.961 1.00 0.00 C ATOM 540 CZ TYR A 34 7.676 8.141 -4.331 1.00 0.00 C ATOM 541 OH TYR A 34 8.941 8.177 -4.882 1.00 0.00 O ATOM 0 H TYR A 34 1.405 7.801 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 34 2.611 8.199 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.466 9.065 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.745 7.424 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.406 8.493 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.116 7.680 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.680 8.538 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.384 7.740 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 34 9.602 7.933 -4.201 1.00 0.00 H new ATOM 551 N ILE A 35 2.731 5.125 -3.213 1.00 0.00 N ATOM 552 CA ILE A 35 3.016 3.711 -3.652 1.00 0.00 C ATOM 553 C ILE A 35 2.180 3.409 -4.908 1.00 0.00 C ATOM 554 O ILE A 35 2.699 2.935 -5.901 1.00 0.00 O ATOM 555 CB ILE A 35 2.617 2.807 -2.466 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.600 3.042 -1.317 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.661 1.330 -2.868 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.096 2.341 -0.056 1.00 0.00 C ATOM 0 H ILE A 35 2.339 5.220 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 35 4.062 3.546 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 35 1.600 3.053 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.586 2.663 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.709 4.111 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.376 0.712 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.967 1.156 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.671 1.069 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.799 2.511 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.119 2.741 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.010 1.271 -0.244 1.00 0.00 H new ATOM 570 N VAL A 36 0.898 3.715 -4.884 1.00 0.00 N ATOM 571 CA VAL A 36 0.055 3.475 -6.110 1.00 0.00 C ATOM 572 C VAL A 36 0.579 4.364 -7.247 1.00 0.00 C ATOM 573 O VAL A 36 0.682 3.931 -8.379 1.00 0.00 O ATOM 574 CB VAL A 36 -1.389 3.860 -5.747 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.301 3.654 -6.959 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.874 2.978 -4.593 1.00 0.00 C ATOM 0 H VAL A 36 0.405 4.113 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 36 0.095 2.435 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.418 4.908 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.323 3.928 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.958 4.280 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.273 2.607 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.897 3.249 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.841 1.932 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.229 3.125 -3.727 1.00 0.00 H new ATOM 586 N LEU A 37 0.936 5.605 -6.951 1.00 0.00 N ATOM 587 CA LEU A 37 1.482 6.503 -8.034 1.00 0.00 C ATOM 588 C LEU A 37 2.712 5.832 -8.663 1.00 0.00 C ATOM 589 O LEU A 37 2.854 5.799 -9.872 1.00 0.00 O ATOM 590 CB LEU A 37 1.884 7.825 -7.359 1.00 0.00 C ATOM 591 CG LEU A 37 1.922 8.941 -8.403 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.511 9.497 -8.610 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.844 10.062 -7.917 1.00 0.00 C ATOM 0 H LEU A 37 0.874 6.026 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 37 0.747 6.684 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.173 8.074 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.861 7.722 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 37 2.297 8.543 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.539 10.293 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.147 8.700 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.135 9.895 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.872 10.858 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.468 10.459 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.850 9.668 -7.770 1.00 0.00 H new ATOM 605 N LEU A 38 3.583 5.257 -7.852 1.00 0.00 N ATOM 606 CA LEU A 38 4.779 4.548 -8.432 1.00 0.00 C ATOM 607 C LEU A 38 4.275 3.368 -9.279 1.00 0.00 C ATOM 608 O LEU A 38 4.748 3.129 -10.372 1.00 0.00 O ATOM 609 CB LEU A 38 5.615 4.028 -7.251 1.00 0.00 C ATOM 610 CG LEU A 38 6.188 5.206 -6.460 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.711 4.706 -5.111 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.337 5.837 -7.250 1.00 0.00 C ATOM 0 H LEU A 38 3.519 5.248 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 38 5.380 5.208 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.997 3.409 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.424 3.396 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 38 5.408 5.949 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.120 5.544 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.894 4.253 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.492 3.964 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.747 6.677 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.118 5.094 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.966 6.191 -8.212 1.00 0.00 H new ATOM 624 N ILE A 39 3.294 2.640 -8.778 1.00 0.00 N ATOM 625 CA ILE A 39 2.730 1.482 -9.561 1.00 0.00 C ATOM 626 C ILE A 39 2.160 2.008 -10.889 1.00 0.00 C ATOM 627 O ILE A 39 2.454 1.482 -11.946 1.00 0.00 O ATOM 628 CB ILE A 39 1.610 0.880 -8.676 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.235 0.222 -7.427 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.775 -0.148 -9.458 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.964 -1.079 -7.795 1.00 0.00 C ATOM 0 H ILE A 39 2.863 2.797 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 39 3.481 0.729 -9.798 1.00 0.00 H new ATOM 0 HB ILE A 39 0.943 1.685 -8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.934 0.915 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.456 0.011 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.003 -0.553 -8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.315 0.337 -10.319 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.421 -0.957 -9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.395 -1.521 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.257 -1.779 -8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.758 -0.862 -8.509 1.00 0.00 H new ATOM 643 N VAL A 40 1.361 3.051 -10.840 1.00 0.00 N ATOM 644 CA VAL A 40 0.794 3.614 -12.117 1.00 0.00 C ATOM 645 C VAL A 40 1.944 4.104 -13.015 1.00 0.00 C ATOM 646 O VAL A 40 1.888 3.968 -14.223 1.00 0.00 O ATOM 647 CB VAL A 40 -0.117 4.792 -11.723 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.732 5.414 -12.981 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.240 4.291 -10.803 1.00 0.00 C ATOM 0 H VAL A 40 1.079 3.532 -9.986 1.00 0.00 H new ATOM 0 HA VAL A 40 0.230 2.862 -12.668 1.00 0.00 H new ATOM 0 HB VAL A 40 0.476 5.542 -11.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.376 6.247 -12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.063 5.775 -13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.321 4.663 -13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.883 5.126 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.829 3.537 -11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.806 3.853 -9.904 1.00 0.00 H new ATOM 659 N ASN A 41 2.986 4.670 -12.438 1.00 0.00 N ATOM 660 CA ASN A 41 4.134 5.162 -13.280 1.00 0.00 C ATOM 661 C ASN A 41 4.716 4.017 -14.121 1.00 0.00 C ATOM 662 O ASN A 41 5.100 4.220 -15.257 1.00 0.00 O ATOM 663 CB ASN A 41 5.201 5.701 -12.313 1.00 0.00 C ATOM 664 CG ASN A 41 4.961 7.196 -12.067 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.988 7.982 -12.992 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.724 7.629 -10.853 1.00 0.00 N ATOM 0 H ASN A 41 3.091 4.811 -11.433 1.00 0.00 H new ATOM 0 HA ASN A 41 3.800 5.938 -13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.161 5.156 -11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.196 5.545 -12.729 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.563 8.623 -10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.700 6.972 -10.073 1.00 0.00 H new ATOM 673 N GLY A 42 4.792 2.815 -13.580 1.00 0.00 N ATOM 674 CA GLY A 42 5.362 1.682 -14.383 1.00 0.00 C ATOM 675 C GLY A 42 5.064 0.341 -13.700 1.00 0.00 C ATOM 676 O GLY A 42 4.413 -0.516 -14.269 1.00 0.00 O ATOM 0 H GLY A 42 4.490 2.576 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.937 1.689 -15.387 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.439 1.811 -14.492 1.00 0.00 H new ATOM 680 N GLY A 43 5.536 0.151 -12.488 1.00 0.00 N ATOM 681 CA GLY A 43 5.278 -1.134 -11.783 1.00 0.00 C ATOM 682 C GLY A 43 6.586 -1.928 -11.666 1.00 0.00 C ATOM 683 O GLY A 43 6.661 -3.069 -12.082 1.00 0.00 O ATOM 0 H GLY A 43 6.086 0.832 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.868 -0.941 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.535 -1.716 -12.327 1.00 0.00 H new ATOM 687 N THR A 44 7.612 -1.342 -11.089 1.00 0.00 N ATOM 688 CA THR A 44 8.902 -2.070 -10.929 1.00 0.00 C ATOM 689 C THR A 44 9.281 -2.078 -9.440 1.00 0.00 C ATOM 690 O THR A 44 9.486 -1.036 -8.850 1.00 0.00 O ATOM 691 CB THR A 44 9.907 -1.275 -11.763 1.00 0.00 C ATOM 692 OG1 THR A 44 9.714 0.117 -11.530 1.00 0.00 O ATOM 693 CG2 THR A 44 9.687 -1.585 -13.248 1.00 0.00 C ATOM 0 H THR A 44 7.605 -0.390 -10.724 1.00 0.00 H new ATOM 0 HA THR A 44 8.863 -3.109 -11.256 1.00 0.00 H new ATOM 0 HB THR A 44 10.923 -1.552 -11.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.424 0.257 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.401 -1.020 -13.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.830 -2.651 -13.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.673 -1.304 -13.532 1.00 0.00 H new ATOM 701 N VAL A 45 9.347 -3.240 -8.817 1.00 0.00 N ATOM 702 CA VAL A 45 9.683 -3.280 -7.343 1.00 0.00 C ATOM 703 C VAL A 45 10.994 -2.524 -7.057 1.00 0.00 C ATOM 704 O VAL A 45 11.117 -1.874 -6.037 1.00 0.00 O ATOM 705 CB VAL A 45 9.814 -4.766 -6.941 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.211 -4.875 -5.462 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.470 -5.478 -7.148 1.00 0.00 C ATOM 0 H VAL A 45 9.186 -4.148 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 45 8.900 -2.792 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 45 10.580 -5.232 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.301 -5.926 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.166 -4.375 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.447 -4.402 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.566 -6.526 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.708 -5.003 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.181 -5.412 -8.197 1.00 0.00 H new ATOM 717 N GLU A 46 11.968 -2.597 -7.936 1.00 0.00 N ATOM 718 CA GLU A 46 13.256 -1.864 -7.663 1.00 0.00 C ATOM 719 C GLU A 46 12.997 -0.355 -7.649 1.00 0.00 C ATOM 720 O GLU A 46 13.330 0.320 -6.692 1.00 0.00 O ATOM 721 CB GLU A 46 14.233 -2.233 -8.790 1.00 0.00 C ATOM 722 CG GLU A 46 14.820 -3.621 -8.526 1.00 0.00 C ATOM 723 CD GLU A 46 16.217 -3.712 -9.141 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.978 -2.772 -8.978 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.502 -4.721 -9.765 1.00 0.00 O ATOM 0 H GLU A 46 11.934 -3.119 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 46 13.671 -2.141 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.717 -2.222 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.032 -1.494 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.871 -3.807 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.173 -4.388 -8.952 1.00 0.00 H new ATOM 732 N SER A 47 12.390 0.183 -8.686 1.00 0.00 N ATOM 733 CA SER A 47 12.104 1.659 -8.681 1.00 0.00 C ATOM 734 C SER A 47 11.019 1.967 -7.639 1.00 0.00 C ATOM 735 O SER A 47 11.074 2.980 -6.970 1.00 0.00 O ATOM 736 CB SER A 47 11.616 2.031 -10.087 1.00 0.00 C ATOM 737 OG SER A 47 12.346 1.281 -11.050 1.00 0.00 O ATOM 0 H SER A 47 12.086 -0.323 -9.518 1.00 0.00 H new ATOM 0 HA SER A 47 12.994 2.233 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.550 1.825 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.751 3.098 -10.261 1.00 0.00 H new ATOM 0 HG SER A 47 11.737 0.677 -11.524 1.00 0.00 H new ATOM 743 N VAL A 48 10.038 1.096 -7.482 1.00 0.00 N ATOM 744 CA VAL A 48 8.969 1.362 -6.457 1.00 0.00 C ATOM 745 C VAL A 48 9.558 1.241 -5.043 1.00 0.00 C ATOM 746 O VAL A 48 9.199 1.998 -4.161 1.00 0.00 O ATOM 747 CB VAL A 48 7.854 0.321 -6.677 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.717 0.571 -5.684 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.308 0.442 -8.105 1.00 0.00 C ATOM 0 H VAL A 48 9.934 0.229 -8.009 1.00 0.00 H new ATOM 0 HA VAL A 48 8.568 2.370 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 48 8.263 -0.678 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.929 -0.166 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.097 0.485 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.314 1.572 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.520 -0.296 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.903 1.443 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.113 0.265 -8.818 1.00 0.00 H new ATOM 759 N VAL A 49 10.477 0.319 -4.817 1.00 0.00 N ATOM 760 CA VAL A 49 11.085 0.213 -3.443 1.00 0.00 C ATOM 761 C VAL A 49 12.127 1.333 -3.273 1.00 0.00 C ATOM 762 O VAL A 49 12.237 1.920 -2.213 1.00 0.00 O ATOM 763 CB VAL A 49 11.734 -1.183 -3.346 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.510 -1.315 -2.030 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.638 -2.251 -3.384 1.00 0.00 C ATOM 0 H VAL A 49 10.824 -0.348 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 49 10.343 0.327 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 49 12.419 -1.315 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.964 -2.304 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.290 -0.555 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.828 -1.179 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.091 -3.240 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.958 -2.105 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.083 -2.170 -4.319 1.00 0.00 H new ATOM 775 N ASP A 50 12.876 1.647 -4.311 1.00 0.00 N ATOM 776 CA ASP A 50 13.889 2.753 -4.187 1.00 0.00 C ATOM 777 C ASP A 50 13.172 4.104 -4.038 1.00 0.00 C ATOM 778 O ASP A 50 13.632 4.969 -3.316 1.00 0.00 O ATOM 779 CB ASP A 50 14.732 2.735 -5.473 1.00 0.00 C ATOM 780 CG ASP A 50 15.855 1.706 -5.333 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.545 0.535 -5.196 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.007 2.108 -5.366 1.00 0.00 O ATOM 0 H ASP A 50 12.832 1.194 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 50 14.520 2.612 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.104 2.489 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.151 3.724 -5.659 1.00 0.00 H new ATOM 787 N GLU A 51 12.045 4.297 -4.702 1.00 0.00 N ATOM 788 CA GLU A 51 11.321 5.612 -4.560 1.00 0.00 C ATOM 789 C GLU A 51 10.697 5.708 -3.164 1.00 0.00 C ATOM 790 O GLU A 51 10.747 6.748 -2.532 1.00 0.00 O ATOM 791 CB GLU A 51 10.225 5.655 -5.642 1.00 0.00 C ATOM 792 CG GLU A 51 10.719 6.471 -6.842 1.00 0.00 C ATOM 793 CD GLU A 51 11.144 5.529 -7.972 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.283 5.137 -8.743 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.320 5.215 -8.045 1.00 0.00 O ATOM 0 H GLU A 51 11.605 3.617 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 51 12.006 6.451 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.971 4.643 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.316 6.100 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.930 7.137 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.559 7.099 -6.545 1.00 0.00 H new ATOM 802 N LEU A 52 10.127 4.632 -2.663 1.00 0.00 N ATOM 803 CA LEU A 52 9.528 4.685 -1.286 1.00 0.00 C ATOM 804 C LEU A 52 10.653 4.724 -0.246 1.00 0.00 C ATOM 805 O LEU A 52 10.554 5.418 0.745 1.00 0.00 O ATOM 806 CB LEU A 52 8.675 3.419 -1.112 1.00 0.00 C ATOM 807 CG LEU A 52 7.508 3.452 -2.100 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.912 2.049 -2.233 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.435 4.415 -1.586 1.00 0.00 C ATOM 0 H LEU A 52 10.051 3.733 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 52 8.912 5.574 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.284 2.531 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.299 3.358 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 52 7.864 3.789 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.080 2.072 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.676 1.362 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.554 1.712 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.602 4.440 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.079 4.077 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.859 5.415 -1.490 1.00 0.00 H new ATOM 821 N ALA A 53 11.735 4.004 -0.469 1.00 0.00 N ATOM 822 CA ALA A 53 12.867 4.042 0.522 1.00 0.00 C ATOM 823 C ALA A 53 13.497 5.445 0.528 1.00 0.00 C ATOM 824 O ALA A 53 13.889 5.943 1.567 1.00 0.00 O ATOM 825 CB ALA A 53 13.897 2.994 0.067 1.00 0.00 C ATOM 0 H ALA A 53 11.882 3.402 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 53 12.520 3.823 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.739 2.987 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.431 2.009 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.252 3.243 -0.933 1.00 0.00 H new ATOM 831 N SER A 54 13.594 6.093 -0.619 1.00 0.00 N ATOM 832 CA SER A 54 14.199 7.475 -0.646 1.00 0.00 C ATOM 833 C SER A 54 13.398 8.424 0.261 1.00 0.00 C ATOM 834 O SER A 54 13.963 9.276 0.919 1.00 0.00 O ATOM 835 CB SER A 54 14.138 7.959 -2.102 1.00 0.00 C ATOM 836 OG SER A 54 14.625 9.294 -2.173 1.00 0.00 O ATOM 0 H SER A 54 13.286 5.733 -1.522 1.00 0.00 H new ATOM 0 HA SER A 54 15.226 7.457 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.735 7.307 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.113 7.913 -2.470 1.00 0.00 H new ATOM 0 HG SER A 54 14.589 9.606 -3.101 1.00 0.00 H new ATOM 842 N LEU A 55 12.088 8.282 0.311 1.00 0.00 N ATOM 843 CA LEU A 55 11.272 9.184 1.193 1.00 0.00 C ATOM 844 C LEU A 55 11.028 8.508 2.551 1.00 0.00 C ATOM 845 O LEU A 55 11.111 9.141 3.587 1.00 0.00 O ATOM 846 CB LEU A 55 9.943 9.414 0.459 1.00 0.00 C ATOM 847 CG LEU A 55 10.077 10.617 -0.474 1.00 0.00 C ATOM 848 CD1 LEU A 55 8.916 10.622 -1.471 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.044 11.906 0.351 1.00 0.00 C ATOM 0 H LEU A 55 11.556 7.589 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 55 11.782 10.128 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.672 8.526 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.143 9.586 1.179 1.00 0.00 H new ATOM 0 HG LEU A 55 11.021 10.554 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.012 11.480 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.936 9.704 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.972 10.686 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.139 12.765 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.099 11.968 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.870 11.904 1.063 1.00 0.00 H new ATOM 861 N PHE A 56 10.740 7.226 2.555 1.00 0.00 N ATOM 862 CA PHE A 56 10.506 6.508 3.846 1.00 0.00 C ATOM 863 C PHE A 56 11.699 5.586 4.138 1.00 0.00 C ATOM 864 O PHE A 56 11.602 4.380 4.007 1.00 0.00 O ATOM 865 CB PHE A 56 9.226 5.687 3.643 1.00 0.00 C ATOM 866 CG PHE A 56 8.083 6.603 3.271 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.556 7.488 4.218 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.553 6.568 1.975 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.499 8.338 3.871 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.499 7.418 1.627 1.00 0.00 C ATOM 871 CZ PHE A 56 5.971 8.302 2.575 1.00 0.00 C ATOM 0 H PHE A 56 10.657 6.648 1.719 1.00 0.00 H new ATOM 0 HA PHE A 56 10.403 7.193 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.379 4.945 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.985 5.141 4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.965 7.515 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.959 5.884 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.092 9.021 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.092 7.393 0.627 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.155 8.957 2.306 1.00 0.00 H new ATOM 881 N ASP A 57 12.827 6.141 4.539 1.00 0.00 N ATOM 882 CA ASP A 57 14.016 5.277 4.841 1.00 0.00 C ATOM 883 C ASP A 57 14.175 5.069 6.360 1.00 0.00 C ATOM 884 O ASP A 57 15.272 4.850 6.839 1.00 0.00 O ATOM 885 CB ASP A 57 15.228 6.025 4.274 1.00 0.00 C ATOM 886 CG ASP A 57 16.231 5.019 3.706 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.382 3.964 4.301 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.830 5.319 2.688 1.00 0.00 O ATOM 0 H ASP A 57 12.972 7.142 4.668 1.00 0.00 H new ATOM 0 HA ASP A 57 13.908 4.286 4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.909 6.716 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.699 6.621 5.056 1.00 0.00 H new ATOM 893 N SER A 58 13.099 5.120 7.124 1.00 0.00 N ATOM 894 CA SER A 58 13.222 4.903 8.605 1.00 0.00 C ATOM 895 C SER A 58 12.920 3.435 8.960 1.00 0.00 C ATOM 896 O SER A 58 13.519 2.882 9.864 1.00 0.00 O ATOM 897 CB SER A 58 12.195 5.835 9.259 1.00 0.00 C ATOM 898 OG SER A 58 12.212 5.640 10.667 1.00 0.00 O ATOM 0 H SER A 58 12.153 5.301 6.788 1.00 0.00 H new ATOM 0 HA SER A 58 14.232 5.117 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.426 6.873 9.021 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.199 5.632 8.864 1.00 0.00 H new ATOM 0 HG SER A 58 11.557 6.236 11.088 1.00 0.00 H new ATOM 904 N VAL A 59 12.005 2.794 8.258 1.00 0.00 N ATOM 905 CA VAL A 59 11.692 1.358 8.572 1.00 0.00 C ATOM 906 C VAL A 59 12.527 0.421 7.684 1.00 0.00 C ATOM 907 O VAL A 59 12.984 0.807 6.625 1.00 0.00 O ATOM 908 CB VAL A 59 10.181 1.168 8.317 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.840 1.376 6.833 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.779 -0.248 8.729 1.00 0.00 C ATOM 0 H VAL A 59 11.469 3.199 7.491 1.00 0.00 H new ATOM 0 HA VAL A 59 11.939 1.116 9.606 1.00 0.00 H new ATOM 0 HB VAL A 59 9.635 1.907 8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.770 1.236 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.120 2.386 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.389 0.654 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.713 -0.390 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.344 -0.972 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.993 -0.394 9.788 1.00 0.00 H new ATOM 920 N SER A 60 12.739 -0.808 8.113 1.00 0.00 N ATOM 921 CA SER A 60 13.564 -1.769 7.284 1.00 0.00 C ATOM 922 C SER A 60 13.041 -1.838 5.836 1.00 0.00 C ATOM 923 O SER A 60 11.847 -1.850 5.605 1.00 0.00 O ATOM 924 CB SER A 60 13.435 -3.147 7.951 1.00 0.00 C ATOM 925 OG SER A 60 12.229 -3.194 8.701 1.00 0.00 O ATOM 0 H SER A 60 12.383 -1.187 8.990 1.00 0.00 H new ATOM 0 HA SER A 60 14.602 -1.440 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.437 -3.932 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.289 -3.330 8.603 1.00 0.00 H new ATOM 0 HG SER A 60 12.142 -4.072 9.127 1.00 0.00 H new ATOM 931 N ARG A 61 13.928 -1.891 4.858 1.00 0.00 N ATOM 932 CA ARG A 61 13.473 -1.964 3.419 1.00 0.00 C ATOM 933 C ARG A 61 12.475 -3.117 3.216 1.00 0.00 C ATOM 934 O ARG A 61 11.564 -3.014 2.414 1.00 0.00 O ATOM 935 CB ARG A 61 14.731 -2.213 2.572 1.00 0.00 C ATOM 936 CG ARG A 61 15.611 -0.959 2.581 1.00 0.00 C ATOM 937 CD ARG A 61 16.266 -0.780 1.210 1.00 0.00 C ATOM 938 NE ARG A 61 17.360 -1.791 1.173 1.00 0.00 N ATOM 939 CZ ARG A 61 18.600 -1.405 1.042 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.164 -0.690 1.978 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.276 -1.732 -0.025 1.00 0.00 N ATOM 0 H ARG A 61 14.939 -1.887 4.992 1.00 0.00 H new ATOM 0 HA ARG A 61 12.969 -1.041 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.287 -3.063 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.450 -2.465 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.010 -0.083 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.376 -1.045 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.549 -0.944 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.657 0.230 1.088 1.00 0.00 H new ATOM 0 HE ARG A 61 17.140 -2.784 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.636 -0.433 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.133 -0.389 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.835 -2.289 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.245 -1.430 -0.127 1.00 0.00 H new ATOM 955 N ASP A 62 12.634 -4.215 3.928 1.00 0.00 N ATOM 956 CA ASP A 62 11.675 -5.367 3.750 1.00 0.00 C ATOM 957 C ASP A 62 10.234 -4.912 4.021 1.00 0.00 C ATOM 958 O ASP A 62 9.316 -5.320 3.334 1.00 0.00 O ATOM 959 CB ASP A 62 12.086 -6.450 4.762 1.00 0.00 C ATOM 960 CG ASP A 62 13.471 -6.988 4.399 1.00 0.00 C ATOM 961 OD1 ASP A 62 13.748 -7.107 3.218 1.00 0.00 O ATOM 962 OD2 ASP A 62 14.232 -7.271 5.310 1.00 0.00 O ATOM 0 H ASP A 62 13.373 -4.364 4.615 1.00 0.00 H new ATOM 0 HA ASP A 62 11.714 -5.748 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.098 -6.035 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.357 -7.260 4.760 1.00 0.00 H new ATOM 967 N THR A 63 10.024 -4.069 5.010 1.00 0.00 N ATOM 968 CA THR A 63 8.620 -3.600 5.298 1.00 0.00 C ATOM 969 C THR A 63 8.092 -2.791 4.104 1.00 0.00 C ATOM 970 O THR A 63 6.952 -2.946 3.707 1.00 0.00 O ATOM 971 CB THR A 63 8.693 -2.725 6.564 1.00 0.00 C ATOM 972 OG1 THR A 63 9.165 -3.513 7.649 1.00 0.00 O ATOM 973 CG2 THR A 63 7.302 -2.177 6.896 1.00 0.00 C ATOM 0 H THR A 63 10.747 -3.690 5.621 1.00 0.00 H new ATOM 0 HA THR A 63 7.941 -4.438 5.455 1.00 0.00 H new ATOM 0 HB THR A 63 9.373 -1.891 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.102 -3.291 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.359 -1.559 7.792 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.939 -1.575 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.616 -3.006 7.070 1.00 0.00 H new ATOM 981 N LEU A 64 8.909 -1.940 3.522 1.00 0.00 N ATOM 982 CA LEU A 64 8.426 -1.142 2.340 1.00 0.00 C ATOM 983 C LEU A 64 8.163 -2.096 1.170 1.00 0.00 C ATOM 984 O LEU A 64 7.137 -2.021 0.521 1.00 0.00 O ATOM 985 CB LEU A 64 9.545 -0.149 1.973 1.00 0.00 C ATOM 986 CG LEU A 64 9.811 0.803 3.153 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.254 0.634 3.639 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.603 2.254 2.704 1.00 0.00 C ATOM 0 H LEU A 64 9.873 -1.764 3.806 1.00 0.00 H new ATOM 0 HA LEU A 64 7.504 -0.607 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.456 -0.692 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.260 0.423 1.090 1.00 0.00 H new ATOM 0 HG LEU A 64 9.120 0.566 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.438 1.310 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.411 -0.395 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.941 0.867 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.792 2.925 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.291 2.486 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.577 2.385 2.359 1.00 0.00 H new ATOM 1000 N ALA A 65 9.077 -3.007 0.908 1.00 0.00 N ATOM 1001 CA ALA A 65 8.857 -3.983 -0.223 1.00 0.00 C ATOM 1002 C ALA A 65 7.548 -4.765 -0.001 1.00 0.00 C ATOM 1003 O ALA A 65 6.853 -5.090 -0.946 1.00 0.00 O ATOM 1004 CB ALA A 65 10.054 -4.947 -0.217 1.00 0.00 C ATOM 0 H ALA A 65 9.954 -3.119 1.417 1.00 0.00 H new ATOM 0 HA ALA A 65 8.777 -3.463 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.939 -5.674 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.975 -4.384 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.097 -5.467 0.740 1.00 0.00 H new ATOM 1010 N ASN A 66 7.203 -5.069 1.237 1.00 0.00 N ATOM 1011 CA ASN A 66 5.928 -5.832 1.491 1.00 0.00 C ATOM 1012 C ASN A 66 4.726 -5.038 0.960 1.00 0.00 C ATOM 1013 O ASN A 66 3.840 -5.599 0.340 1.00 0.00 O ATOM 1014 CB ASN A 66 5.812 -6.015 3.012 1.00 0.00 C ATOM 1015 CG ASN A 66 6.550 -7.292 3.432 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.462 -7.726 2.756 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.198 -7.922 4.527 1.00 0.00 N ATOM 0 H ASN A 66 7.740 -4.826 2.070 1.00 0.00 H new ATOM 0 HA ASN A 66 5.941 -6.797 0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.235 -5.152 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.763 -6.076 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.689 -8.771 4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.433 -7.563 5.099 1.00 0.00 H new ATOM 1024 N VAL A 67 4.685 -3.737 1.182 1.00 0.00 N ATOM 1025 CA VAL A 67 3.521 -2.937 0.656 1.00 0.00 C ATOM 1026 C VAL A 67 3.617 -2.847 -0.878 1.00 0.00 C ATOM 1027 O VAL A 67 2.618 -2.934 -1.568 1.00 0.00 O ATOM 1028 CB VAL A 67 3.604 -1.543 1.297 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.428 -0.689 0.815 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.532 -1.680 2.823 1.00 0.00 C ATOM 0 H VAL A 67 5.390 -3.205 1.693 1.00 0.00 H new ATOM 0 HA VAL A 67 2.567 -3.404 0.903 1.00 0.00 H new ATOM 0 HB VAL A 67 4.543 -1.069 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.486 0.300 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.469 -0.593 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.491 -1.165 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.591 -0.692 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.591 -2.154 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.363 -2.292 3.173 1.00 0.00 H new ATOM 1040 N VAL A 68 4.809 -2.703 -1.424 1.00 0.00 N ATOM 1041 CA VAL A 68 4.934 -2.651 -2.924 1.00 0.00 C ATOM 1042 C VAL A 68 4.517 -4.016 -3.511 1.00 0.00 C ATOM 1043 O VAL A 68 3.924 -4.076 -4.571 1.00 0.00 O ATOM 1044 CB VAL A 68 6.416 -2.355 -3.232 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.655 -2.374 -4.744 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.779 -0.971 -2.683 1.00 0.00 C ATOM 0 H VAL A 68 5.685 -2.621 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 68 4.294 -1.885 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 68 7.036 -3.118 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.705 -2.164 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.397 -3.356 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.033 -1.616 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.826 -0.757 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.150 -0.216 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.620 -0.954 -1.605 1.00 0.00 H new ATOM 1056 N GLN A 69 4.816 -5.112 -2.831 1.00 0.00 N ATOM 1057 CA GLN A 69 4.417 -6.458 -3.378 1.00 0.00 C ATOM 1058 C GLN A 69 2.890 -6.569 -3.447 1.00 0.00 C ATOM 1059 O GLN A 69 2.343 -6.951 -4.466 1.00 0.00 O ATOM 1060 CB GLN A 69 4.983 -7.518 -2.417 1.00 0.00 C ATOM 1061 CG GLN A 69 4.888 -8.900 -3.067 1.00 0.00 C ATOM 1062 CD GLN A 69 3.584 -9.581 -2.634 1.00 0.00 C ATOM 1063 OE1 GLN A 69 3.270 -9.617 -1.461 1.00 0.00 O ATOM 1064 NE2 GLN A 69 2.801 -10.128 -3.533 1.00 0.00 N ATOM 0 H GLN A 69 5.309 -5.131 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 69 4.806 -6.599 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.021 -7.288 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.428 -7.507 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.918 -8.806 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.743 -9.510 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.060 -10.101 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.933 -10.581 -3.246 1.00 0.00 H new ATOM 1073 N THR A 70 2.189 -6.235 -2.381 1.00 0.00 N ATOM 1074 CA THR A 70 0.685 -6.331 -2.432 1.00 0.00 C ATOM 1075 C THR A 70 0.127 -5.410 -3.534 1.00 0.00 C ATOM 1076 O THR A 70 -0.898 -5.706 -4.116 1.00 0.00 O ATOM 1077 CB THR A 70 0.143 -5.929 -1.046 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.274 -6.030 -1.049 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.547 -4.495 -0.710 1.00 0.00 C ATOM 0 H THR A 70 2.580 -5.908 -1.498 1.00 0.00 H new ATOM 0 HA THR A 70 0.372 -7.347 -2.672 1.00 0.00 H new ATOM 0 HB THR A 70 0.563 -6.598 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.622 -5.777 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.156 -4.227 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.634 -4.416 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.139 -3.817 -1.460 1.00 0.00 H new ATOM 1087 N ALA A 71 0.793 -4.310 -3.847 1.00 0.00 N ATOM 1088 CA ALA A 71 0.268 -3.419 -4.944 1.00 0.00 C ATOM 1089 C ALA A 71 0.309 -4.197 -6.267 1.00 0.00 C ATOM 1090 O ALA A 71 -0.631 -4.162 -7.039 1.00 0.00 O ATOM 1091 CB ALA A 71 1.189 -2.189 -5.021 1.00 0.00 C ATOM 0 H ALA A 71 1.656 -3.998 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.758 -3.105 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.838 -1.520 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.176 -1.664 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.206 -2.510 -5.245 1.00 0.00 H new ATOM 1097 N PHE A 72 1.386 -4.918 -6.528 1.00 0.00 N ATOM 1098 CA PHE A 72 1.456 -5.713 -7.804 1.00 0.00 C ATOM 1099 C PHE A 72 0.381 -6.803 -7.764 1.00 0.00 C ATOM 1100 O PHE A 72 -0.428 -6.914 -8.666 1.00 0.00 O ATOM 1101 CB PHE A 72 2.856 -6.342 -7.859 1.00 0.00 C ATOM 1102 CG PHE A 72 3.852 -5.283 -8.253 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.846 -4.778 -9.556 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.774 -4.797 -7.318 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.758 -3.788 -9.926 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.688 -3.807 -7.689 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.682 -3.302 -8.991 1.00 0.00 C ATOM 0 H PHE A 72 2.204 -4.988 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 72 1.285 -5.091 -8.683 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.118 -6.764 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.873 -7.161 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.135 -5.154 -10.277 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.779 -5.187 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.752 -3.397 -10.933 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.400 -3.432 -6.968 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.389 -2.537 -9.277 1.00 0.00 H new ATOM 1117 N PHE A 73 0.345 -7.595 -6.709 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.716 -8.659 -6.615 1.00 0.00 C ATOM 1119 C PHE A 73 -2.106 -7.993 -6.640 1.00 0.00 C ATOM 1120 O PHE A 73 -3.029 -8.506 -7.242 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.490 -9.388 -5.276 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.524 -10.474 -5.095 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.718 -11.434 -6.097 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.289 -10.520 -3.924 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.676 -12.439 -5.925 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.247 -11.525 -3.753 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.441 -12.486 -4.753 1.00 0.00 C ATOM 0 H PHE A 73 0.993 -7.552 -5.922 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.663 -9.361 -7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.510 -9.820 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.550 -8.677 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.129 -11.398 -7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.140 -9.779 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.826 -13.179 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.837 -11.560 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.180 -13.263 -4.620 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.257 -6.846 -6.000 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.595 -6.158 -6.014 1.00 0.00 C ATOM 1139 C ALA A 74 -3.974 -5.793 -7.454 1.00 0.00 C ATOM 1140 O ALA A 74 -5.104 -5.985 -7.865 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.453 -4.884 -5.164 1.00 0.00 C ATOM 0 H ALA A 74 -1.524 -6.366 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.375 -6.805 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.404 -4.351 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.170 -5.155 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.685 -4.242 -5.596 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.042 -5.273 -8.233 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.387 -4.911 -9.659 1.00 0.00 C ATOM 1149 C LEU A 75 -3.912 -6.147 -10.404 1.00 0.00 C ATOM 1150 O LEU A 75 -4.856 -6.055 -11.168 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.096 -4.405 -10.327 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.081 -2.875 -10.318 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.714 -2.379 -10.789 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.167 -2.350 -11.263 1.00 0.00 C ATOM 0 H LEU A 75 -2.079 -5.087 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.163 -4.146 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.225 -4.791 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.035 -4.774 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.272 -2.514 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.701 -1.289 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.060 -2.755 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.525 -2.739 -11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.158 -1.260 -11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.975 -2.710 -12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.142 -2.706 -10.930 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.324 -7.303 -10.179 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.824 -8.538 -10.880 1.00 0.00 C ATOM 1168 C GLU A 76 -5.193 -8.929 -10.308 1.00 0.00 C ATOM 1169 O GLU A 76 -6.091 -9.298 -11.042 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.795 -9.649 -10.620 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.211 -10.917 -11.367 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.990 -11.818 -11.564 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.581 -12.446 -10.601 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.486 -11.865 -12.674 1.00 0.00 O ATOM 0 H GLU A 76 -2.533 -7.446 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.940 -8.371 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.807 -9.328 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.725 -9.851 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.980 -11.447 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.644 -10.657 -12.333 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.367 -8.837 -9.006 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.702 -9.194 -8.407 1.00 0.00 C ATOM 1183 C ALA A 77 -7.757 -8.167 -8.845 1.00 0.00 C ATOM 1184 O ALA A 77 -8.889 -8.521 -9.117 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.530 -9.165 -6.880 1.00 0.00 C ATOM 0 H ALA A 77 -4.656 -8.535 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.034 -10.178 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.476 -9.419 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.770 -9.888 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.222 -8.167 -6.567 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.398 -6.901 -8.927 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.406 -5.871 -9.366 1.00 0.00 C ATOM 1193 C LEU A 78 -8.784 -6.112 -10.836 1.00 0.00 C ATOM 1194 O LEU A 78 -9.936 -5.978 -11.210 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.736 -4.496 -9.207 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.808 -3.430 -8.976 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.334 -3.537 -7.543 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.198 -2.044 -9.191 1.00 0.00 C ATOM 0 H LEU A 78 -6.468 -6.541 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.317 -5.928 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.039 -4.514 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.156 -4.257 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.629 -3.581 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.098 -2.777 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.766 -4.526 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.513 -3.384 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.960 -1.282 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.378 -1.894 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.821 -1.967 -10.211 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.831 -6.469 -11.677 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.171 -6.719 -13.125 1.00 0.00 C ATOM 1212 C GLN A 79 -9.150 -7.899 -13.257 1.00 0.00 C ATOM 1213 O GLN A 79 -9.984 -7.911 -14.142 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.850 -7.048 -13.840 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.062 -5.758 -14.078 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.738 -6.087 -14.777 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.728 -6.761 -15.788 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.609 -5.643 -14.281 1.00 0.00 N ATOM 0 H GLN A 79 -6.850 -6.596 -11.430 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.652 -5.845 -13.564 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.261 -7.740 -13.238 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.052 -7.544 -14.790 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.647 -5.070 -14.689 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.870 -5.257 -13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.612 -5.077 -13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.727 -5.864 -14.743 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.063 -8.892 -12.391 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.010 -10.060 -12.501 1.00 0.00 C ATOM 1229 C GLN A 80 -11.386 -9.684 -11.932 1.00 0.00 C ATOM 1230 O GLN A 80 -12.406 -10.055 -12.482 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.392 -11.209 -11.689 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.804 -12.548 -12.302 1.00 0.00 C ATOM 1233 CD GLN A 80 -8.880 -12.878 -13.480 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -8.652 -12.045 -14.334 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.331 -14.065 -13.568 1.00 0.00 N ATOM 0 H GLN A 80 -8.390 -8.945 -11.626 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.154 -10.351 -13.542 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.306 -11.120 -11.682 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.723 -11.155 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.749 -13.336 -11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.839 -12.502 -12.640 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.519 -14.768 -12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.716 -14.285 -14.351 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.428 -8.953 -10.839 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.744 -8.561 -10.252 1.00 0.00 C ATOM 1246 C GLY A 81 -12.683 -8.668 -8.721 1.00 0.00 C ATOM 1247 O GLY A 81 -13.154 -9.632 -8.147 1.00 0.00 O ATOM 0 H GLY A 81 -10.609 -8.615 -10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.994 -7.541 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.532 -9.206 -10.640 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.112 -7.687 -8.052 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.033 -7.744 -6.560 1.00 0.00 C ATOM 1253 C GLU A 82 -12.575 -6.438 -5.956 1.00 0.00 C ATOM 1254 O GLU A 82 -12.755 -5.459 -6.657 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.542 -7.908 -6.243 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.275 -9.325 -5.726 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.296 -9.324 -4.196 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.718 -8.420 -3.616 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.890 -10.228 -3.631 1.00 0.00 O ATOM 0 H GLU A 82 -11.701 -6.856 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.625 -8.559 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.948 -7.719 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.237 -7.175 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.030 -10.012 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.309 -9.679 -6.087 1.00 0.00 H new ATOM 1266 N SER A 83 -12.839 -6.410 -4.664 1.00 0.00 N ATOM 1267 CA SER A 83 -13.366 -5.159 -4.037 1.00 0.00 C ATOM 1268 C SER A 83 -12.345 -4.586 -3.044 1.00 0.00 C ATOM 1269 O SER A 83 -11.738 -5.318 -2.284 1.00 0.00 O ATOM 1270 CB SER A 83 -14.640 -5.579 -3.305 1.00 0.00 C ATOM 1271 OG SER A 83 -15.653 -5.877 -4.256 1.00 0.00 O ATOM 0 H SER A 83 -12.712 -7.196 -4.026 1.00 0.00 H new ATOM 0 HA SER A 83 -13.559 -4.384 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.444 -6.451 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.972 -4.780 -2.642 1.00 0.00 H new ATOM 0 HG SER A 83 -16.471 -6.148 -3.789 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.150 -3.284 -3.039 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.163 -2.676 -2.083 1.00 0.00 C ATOM 1279 C ALA A 84 -11.876 -2.089 -0.846 1.00 0.00 C ATOM 1280 O ALA A 84 -11.329 -2.104 0.241 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.446 -1.569 -2.871 1.00 0.00 C ATOM 0 H ALA A 84 -12.627 -2.621 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.463 -3.423 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.710 -1.084 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.943 -2.004 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.175 -0.832 -3.209 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.083 -1.567 -0.989 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.792 -0.981 0.210 1.00 0.00 C ATOM 1289 C GLU A 85 -13.933 -2.033 1.321 1.00 0.00 C ATOM 1290 O GLU A 85 -13.784 -1.726 2.489 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.182 -0.534 -0.272 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.714 0.565 0.650 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.302 1.934 0.104 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -15.887 2.358 -0.879 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -14.408 2.534 0.678 1.00 0.00 O ATOM 0 H GLU A 85 -13.600 -1.521 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.228 -0.144 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.122 -0.166 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.867 -1.382 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.800 0.501 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.321 0.430 1.658 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.219 -3.270 0.972 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.366 -4.331 2.037 1.00 0.00 C ATOM 1304 C ASN A 86 -13.074 -4.441 2.864 1.00 0.00 C ATOM 1305 O ASN A 86 -13.124 -4.656 4.061 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.640 -5.657 1.309 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.150 -5.821 1.094 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.933 -5.491 1.962 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.601 -6.318 -0.032 1.00 0.00 N ATOM 0 H ASN A 86 -14.356 -3.591 0.013 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.177 -4.084 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.122 -5.671 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.252 -6.492 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.605 -6.426 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.948 -6.597 -0.764 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.919 -4.289 2.245 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.640 -4.382 3.037 1.00 0.00 C ATOM 1318 C ILE A 87 -10.581 -3.233 4.065 1.00 0.00 C ATOM 1319 O ILE A 87 -10.103 -3.418 5.168 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.476 -4.275 2.026 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.511 -5.467 1.051 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.135 -4.275 2.769 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.411 -6.791 1.820 1.00 0.00 C ATOM 0 H ILE A 87 -11.806 -4.108 1.247 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.579 -5.321 3.587 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.585 -3.345 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.434 -5.444 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.688 -5.388 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.320 -4.199 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.097 -3.425 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.033 -5.200 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.437 -7.623 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.475 -6.817 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.249 -6.874 2.512 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.066 -2.052 3.721 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.023 -0.913 4.712 1.00 0.00 C ATOM 1337 C VAL A 88 -11.803 -1.290 5.983 1.00 0.00 C ATOM 1338 O VAL A 88 -11.399 -0.948 7.078 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.667 0.308 4.028 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.662 1.503 4.986 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.865 0.669 2.777 1.00 0.00 C ATOM 0 H VAL A 88 -11.481 -1.830 2.816 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.997 -0.691 5.006 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.694 0.065 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.119 2.363 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.228 1.253 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.635 1.745 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.318 1.533 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.839 0.908 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.865 -0.176 2.089 1.00 0.00 H new ATOM 1351 N SER A 89 -12.913 -1.993 5.856 1.00 0.00 N ATOM 1352 CA SER A 89 -13.695 -2.380 7.088 1.00 0.00 C ATOM 1353 C SER A 89 -12.788 -3.165 8.048 1.00 0.00 C ATOM 1354 O SER A 89 -12.804 -2.938 9.243 1.00 0.00 O ATOM 1355 CB SER A 89 -14.861 -3.263 6.619 1.00 0.00 C ATOM 1356 OG SER A 89 -15.944 -2.434 6.216 1.00 0.00 O ATOM 0 H SER A 89 -13.306 -2.311 4.970 1.00 0.00 H new ATOM 0 HA SER A 89 -14.065 -1.500 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.543 -3.895 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.176 -3.927 7.424 1.00 0.00 H new ATOM 0 HG SER A 89 -16.690 -2.994 5.914 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.979 -4.067 7.531 1.00 0.00 N ATOM 1363 CA LYS A 90 -11.053 -4.837 8.437 1.00 0.00 C ATOM 1364 C LYS A 90 -9.965 -3.899 8.983 1.00 0.00 C ATOM 1365 O LYS A 90 -9.548 -4.034 10.119 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.421 -5.953 7.587 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.798 -7.004 8.508 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.773 -8.357 7.795 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.247 -9.429 8.750 1.00 0.00 C ATOM 1370 NZ LYS A 90 -7.763 -9.329 8.661 1.00 0.00 N ATOM 0 H LYS A 90 -11.918 -4.301 6.540 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.590 -5.259 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.177 -6.413 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.661 -5.536 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.786 -6.707 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.371 -7.079 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.775 -8.619 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.140 -8.302 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.594 -9.255 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.594 -10.421 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.329 -10.068 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.465 -9.455 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.457 -8.394 8.998 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.512 -2.938 8.200 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.462 -1.996 8.720 1.00 0.00 C ATOM 1386 C ILE A 91 -9.081 -1.077 9.784 1.00 0.00 C ATOM 1387 O ILE A 91 -8.457 -0.783 10.787 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.956 -1.174 7.515 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.352 -2.107 6.452 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.884 -0.184 7.980 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.239 -2.965 7.070 1.00 0.00 C ATOM 0 H ILE A 91 -9.818 -2.769 7.242 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.635 -2.535 9.183 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.797 -0.632 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.129 -2.750 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.952 -1.519 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.529 0.395 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.309 0.490 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.050 -0.731 8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.820 -3.621 6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.455 -2.317 7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.651 -3.567 7.880 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.304 -0.628 9.583 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.945 0.266 10.613 1.00 0.00 C ATOM 1405 C ARG A 92 -11.030 -0.464 11.963 1.00 0.00 C ATOM 1406 O ARG A 92 -10.832 0.137 13.003 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.354 0.603 10.102 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.277 1.779 9.126 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.683 2.325 8.871 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.507 3.799 8.755 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.096 4.595 9.606 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.977 4.383 10.888 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -14.804 5.603 9.175 1.00 0.00 N ATOM 0 H ARG A 92 -10.878 -0.837 8.766 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.360 1.174 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.790 -0.265 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.005 0.854 10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.640 2.563 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.825 1.457 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.110 1.905 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.359 2.071 9.687 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.927 4.187 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.424 3.595 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.437 5.005 11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.897 5.769 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.264 6.225 9.840 1.00 0.00 H new ATOM 1427 N MET A 93 -11.309 -1.753 11.960 1.00 0.00 N ATOM 1428 CA MET A 93 -11.383 -2.494 13.269 1.00 0.00 C ATOM 1429 C MET A 93 -9.974 -2.641 13.856 1.00 0.00 C ATOM 1430 O MET A 93 -9.777 -2.482 15.046 1.00 0.00 O ATOM 1431 CB MET A 93 -11.989 -3.875 12.969 1.00 0.00 C ATOM 1432 CG MET A 93 -13.514 -3.768 12.941 1.00 0.00 C ATOM 1433 SD MET A 93 -14.149 -3.737 14.635 1.00 0.00 S ATOM 1434 CE MET A 93 -15.422 -2.477 14.377 1.00 0.00 C ATOM 0 H MET A 93 -11.485 -2.314 11.127 1.00 0.00 H new ATOM 0 HA MET A 93 -11.995 -1.959 13.995 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.622 -4.245 12.011 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.678 -4.593 13.728 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.816 -2.864 12.412 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.938 -4.612 12.398 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.950 -2.296 15.313 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.955 -1.552 14.039 1.00 0.00 H new ATOM 0 HE3 MET A 93 -16.129 -2.823 13.623 1.00 0.00 H new ATOM 1444 N MET A 94 -8.986 -2.923 13.032 1.00 0.00 N ATOM 1445 CA MET A 94 -7.587 -3.052 13.567 1.00 0.00 C ATOM 1446 C MET A 94 -7.056 -1.665 13.955 1.00 0.00 C ATOM 1447 O MET A 94 -6.387 -1.516 14.961 1.00 0.00 O ATOM 1448 CB MET A 94 -6.731 -3.661 12.445 1.00 0.00 C ATOM 1449 CG MET A 94 -7.028 -5.157 12.331 1.00 0.00 C ATOM 1450 SD MET A 94 -6.067 -6.060 13.571 1.00 0.00 S ATOM 1451 CE MET A 94 -7.072 -7.565 13.585 1.00 0.00 C ATOM 0 H MET A 94 -9.085 -3.067 12.027 1.00 0.00 H new ATOM 0 HA MET A 94 -7.557 -3.684 14.455 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.945 -3.164 11.499 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.673 -3.504 12.655 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.093 -5.339 12.477 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.778 -5.513 11.332 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.652 -8.276 14.296 1.00 0.00 H new ATOM 0 HE2 MET A 94 -8.093 -7.318 13.878 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.077 -8.008 12.589 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.359 -0.642 13.179 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.870 0.735 13.546 1.00 0.00 C ATOM 1463 C ASN A 95 -7.621 1.238 14.788 1.00 0.00 C ATOM 1464 O ASN A 95 -7.046 1.904 15.630 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.145 1.660 12.344 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.856 1.838 11.529 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.359 0.828 10.858 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.293 2.915 11.500 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.913 -0.698 12.324 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.805 0.720 13.777 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.929 1.235 11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.505 2.628 12.692 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.675 3.705 12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.438 3.029 10.955 1.00 0.00 H new